SpectraBase Spectrum ID |
AcVxQi9s5tD |
Name |
2,4-Difluorobenzamide, N-(4-fluorophenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
251.055798370 u |
Formula |
C13H8F3NO |
InChI |
InChI=1S/C13H8F3NO/c14-8-1-4-10(5-2-8)17-13(18)11-6-3-9(15)7-12(11)16/h1-7H,(H,17,18) |
InChIKey |
KAZFQCIQXFLFKR-UHFFFAOYSA-N |
Molecular Weight |
251.208 g/mol |
SMILES |
C1(=CC=C(C=C1)NC(C1=C(C=C(F)C=C1)F)=O)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965694 |